benzoic acid; 1-[bis(2-oxidanylpropyl)amino]propan-2-ol

Systemtic Name: benzoic acid; 1-[bis(2-oxidanylpropyl)amino]propan-2-ol Openeye Name: benzoic acid; 1-[bis(2-hydroxypropyl)amino]propan-2-ol CAS Name: benzoic acid; 1-[bis(2-hydroxypropyl)amino]-2-propanol IUPAC Name: benzoic acid; 1-[bis(2-hydroxypropyl)amino]propan-2-ol Traditional Name: benzoic acid; 1-[bis(2-hydroxypropyl)amino]propan-2-ol Formula: C16H27NO5 MolecularWeight: 313.38928

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC(C)O)CC(C)O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(CN(CC(C)O)CC(C)O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H21NO3.C7H6O2/c1-7(11)4-10(5-8(2)12)6-9(3)13;8-7(9)6-4-2-1-3-5-6/h7-9,11-13H,4-6H2,1-3H3;1-5H,(H,8,9)